Found 2032 hits Enz. Inhib. hit(s) with Target = 'Thyroid hormone receptor' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0580 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0580 | n/a | n/a | n/a | n/a | n/a |
University of California, San Francisco
| Assay Description Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega. |
Chem Biol 5: 299-306 (1998)
Article DOI: 10.1016/s1074-5521(98)90168-5 BindingDB Entry DOI: 10.7270/Q2W0949S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0580 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against Thyroid hormone receptor alpha1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | n/a | 0.0670 | n/a | n/a | n/a | n/a | n/a |
University of California, San Francisco
| Assay Description Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega. |
Chem Biol 5: 299-306 (1998)
Article DOI: 10.1016/s1074-5521(98)90168-5 BindingDB Entry DOI: 10.7270/Q2W0949S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0810 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0810 | n/a | n/a | n/a | n/a | n/a |
University of California, San Francisco
| Assay Description Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega. |
Chem Biol 5: 299-306 (1998)
Article DOI: 10.1016/s1074-5521(98)90168-5 BindingDB Entry DOI: 10.7270/Q2W0949S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0810 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRbeta receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.0870 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against thyroid hormone receptor beta 1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| DrugBank PDB PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against thyroid hormone receptor beta 1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1) |
Bioorg Med Chem Lett 11: 2821-5 (2001)
BindingDB Entry DOI: 10.7270/Q21Z43QR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank PDB PubMed
| n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1) |
Bioorg Med Chem Lett 11: 2821-5 (2001)
BindingDB Entry DOI: 10.7270/Q21Z43QR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description Binding affinity to human TRbeta1 |
J Med Chem 55: 5649-75 (2012)
Article DOI: 10.1021/jm2004706 BindingDB Entry DOI: 10.7270/Q2DZ09FJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50130594
(3-[4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-p...)Show InChI InChI=1S/C21H26O3/c1-13(2)18-11-17(5-7-20(18)22)12-19-14(3)9-16(10-15(19)4)6-8-21(23)24/h5,7,9-11,13,22H,6,8,12H2,1-4H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against thyroid hormone receptor beta 1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50130596
(CHEMBL419016 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)Show InChI InChI=1S/C19H22O5/c1-11(2)16-9-14(5-6-17(16)20)24-19-12(3)7-15(8-13(19)4)23-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against thyroid hormone receptor beta 1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a |
University of California, San Francisco
| Assay Description Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega. |
Chem Biol 5: 299-306 (1998)
Article DOI: 10.1016/s1074-5521(98)90168-5 BindingDB Entry DOI: 10.7270/Q2W0949S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50115666
(CHEMBL109430 | {4-[4-Hydroxy-3-isopropyl-5-(4-pent...)Show SMILES CCCCCc1ccc(cc1)C#Cc1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C(C)C)c1O Show InChI InChI=1S/C33H38O4/c1-6-7-8-9-25-10-12-26(13-11-25)14-15-28-18-27(19-30(22(2)3)33(28)36)20-31-23(4)16-29(17-24(31)5)37-21-32(34)35/h10-13,16-19,22,36H,6-9,20-21H2,1-5H3,(H,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50085448
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H27N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H3,24,25)(H,26,28)/t18-,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human thrombin |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01809 BindingDB Entry DOI: 10.7270/Q27M0CMM |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against Thyroid hormone receptor alpha1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50130594
(3-[4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-p...)Show InChI InChI=1S/C21H26O3/c1-13(2)18-11-17(5-7-20(18)22)12-19-14(3)9-16(10-15(19)4)6-8-21(23)24/h5,7,9-11,13,22H,6,8,12H2,1-4H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against Thyroid hormone receptor alpha1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 8
(Homo sapiens (Human)) | BDBM50539801
(CHEMBL4648912 | US11840533, Compound 70)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD8 BD1 (S700 to F854 residues) expressed in mammalian expression system BROMOscan assay |
J Med Chem 63: 7186-7210 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 8
(Homo sapiens (Human)) | BDBM50539801
(CHEMBL4648912 | US11840533, Compound 70)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD8 BD2 (D1095 to F1235 residues) expressed in mammalian expression system BROMOscan assay |
J Med Chem 63: 7186-7210 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50130597
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-benzyl)-3,5-di...)Show SMILES CC(C)c1cc(Cc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C21H27NO3/c1-12(2)17-9-15(5-6-20(17)23)10-18-13(3)7-16(8-14(18)4)11-19(22)21(24)25/h5-9,12,19,23H,10-11,22H2,1-4H3,(H,24,25)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.26 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against thyroid hormone receptor beta 1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRbeta receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50130597
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-benzyl)-3,5-di...)Show SMILES CC(C)c1cc(Cc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C21H27NO3/c1-12(2)17-9-15(5-6-20(17)23)10-18-13(3)7-16(8-14(18)4)11-19(22)21(24)25/h5-9,12,19,23H,10-11,22H2,1-4H3,(H,24,25)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.02 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against Thyroid hormone receptor alpha1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50130596
(CHEMBL419016 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)Show InChI InChI=1S/C19H22O5/c1-11(2)16-9-14(5-6-17(16)20)24-19-12(3)7-15(8-13(19)4)23-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against Thyroid hormone receptor alpha1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50115668
(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description Binding affinity to human TRalpha1 |
J Med Chem 55: 5649-75 (2012)
Article DOI: 10.1021/jm2004706 BindingDB Entry DOI: 10.7270/Q2DZ09FJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50115666
(CHEMBL109430 | {4-[4-Hydroxy-3-isopropyl-5-(4-pent...)Show SMILES CCCCCc1ccc(cc1)C#Cc1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C(C)C)c1O Show InChI InChI=1S/C33H38O4/c1-6-7-8-9-25-10-12-26(13-11-25)14-15-28-18-27(19-30(22(2)3)33(28)36)20-31-23(4)16-29(17-24(31)5)37-21-32(34)35/h10-13,16-19,22,36H,6-9,20-21H2,1-5H3,(H,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50130595
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against thyroid hormone receptor beta 1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50130595
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity of compound was determined against Thyroid hormone receptor alpha1 |
J Med Chem 46: 3152-61 (2003)
Article DOI: 10.1021/jm0301181 BindingDB Entry DOI: 10.7270/Q2NK3DF9 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50130595
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a |
University of California, San Francisco
| Assay Description Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega. |
Chem Biol 5: 299-306 (1998)
Article DOI: 10.1016/s1074-5521(98)90168-5 BindingDB Entry DOI: 10.7270/Q2W0949S |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50130595
(2-Amino-3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-d...)Show SMILES CC(C)c1cc(Oc2c(C)cc(C[C@H](N)C(O)=O)cc2C)ccc1O Show InChI InChI=1S/C20H25NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h5-8,10-11,17,22H,9,21H2,1-4H3,(H,23,24)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a |
University of California, San Francisco
| Assay Description Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega. |
Chem Biol 5: 299-306 (1998)
Article DOI: 10.1016/s1074-5521(98)90168-5 BindingDB Entry DOI: 10.7270/Q2W0949S |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375345
(CHEMBL264153)Show SMILES CCc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C18H16I2N2O4/c1-2-10-8-11(3-4-15(10)23)26-16-12(19)5-9(6-13(16)20)7-14-17(24)22-18(25)21-14/h3-6,8,23-24H,2,7H2,1H3,(H2,21,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375350
(CHEMBL263631)Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50375345
(CHEMBL264153)Show SMILES CCc1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C18H16I2N2O4/c1-2-10-8-11(3-4-15(10)23)26-16-12(19)5-9(6-13(16)20)7-14-17(24)22-18(25)21-14/h3-6,8,23-24H,2,7H2,1H3,(H2,21,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRbeta receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50375350
(CHEMBL263631)Show SMILES CC(C)c1cc(Oc2c(Br)cc(Cc3[nH]c(=O)[nH]c3O)cc2Br)ccc1O Show InChI InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 18.4 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRbeta receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18885
(2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(p...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O Show InChI InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375343
(CHEMBL259096)Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 Show InChI InChI=1S/C16H11I3N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50375349
(CHEMBL260482)Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(c2)C2CC2)c(I)c1 Show InChI InChI=1S/C19H16I2N2O4/c20-13-5-9(7-15-18(25)23-19(26)22-15)6-14(21)17(13)27-11-3-4-16(24)12(8-11)10-1-2-10/h3-6,8,10,24-25H,1-2,7H2,(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRalpha receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18884
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18884
(2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human TRbeta1 |
J Med Chem 55: 5649-75 (2012)
Article DOI: 10.1021/jm2004706 BindingDB Entry DOI: 10.7270/Q2DZ09FJ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50375343
(CHEMBL259096)Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 Show InChI InChI=1S/C16H11I3N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Displacement of [125I]T3 from human TRbeta receptor |
Bioorg Med Chem 16: 762-70 (2008)
Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50115667
(CHEMBL111953 | [4-(4-Hydroxy-3-isopropyl-5-phenyle...)Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccccc2)c1O Show InChI InChI=1S/C28H28O4/c1-18(2)25-15-22(14-23(28(25)31)11-10-21-8-6-5-7-9-21)16-26-19(3)12-24(13-20(26)4)32-17-27(29)30/h5-9,12-15,18,31H,16-17H2,1-4H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3 |
J Med Chem 45: 3310-20 (2002)
BindingDB Entry DOI: 10.7270/Q20G3JHX |
More data for this Ligand-Target Pair | |